ethyl 2-diaminophosphoryloxy-3-phenylpropanoate

C11H17N2O4P — CID 175144269

IUPACethyl 2-diaminophosphoryloxy-3-phenylpropanoate
SMILESCCOC(=O)C(Cc1ccccc1)OP(N)(N)=O
InChIInChI=1S/C11H17N2O4P/c1-2-16-11(14)10(17-18(12,13)15)8-9-6-4-3-5-7-9/h3-7,10H,2,8H2,1H3,(H4,12,13,15)
InChIKeyLPQYFZITGZSNJI-UHFFFAOYSA-N
MW272.24 g/mol
LogP1.20
Rot. Bonds6

About ethyl 2-diaminophosphoryloxy-3-phenylpropanoate

ethyl 2-diaminophosphoryloxy-3-phenylpropanoate (PubChem CID 175144269) has the molecular formula C11H17N2O4P and a molecular weight of 272.24 g/mol. Its IUPAC name is ethyl 2-diaminophosphoryloxy-3-phenylpropanoate.

Molecular Properties

Compound Nameethyl 2-diaminophosphoryloxy-3-phenylpropanoate
PubChem CID175144269
Molecular FormulaC11H17N2O4P
Molecular Weight272.24 g/mol
Exact Mass272.09
IUPAC Nameethyl 2-diaminophosphoryloxy-3-phenylpropanoate
SMILESCCOC(=O)C(Cc1ccccc1)OP(N)(N)=O
InChIInChI=1S/C11H17N2O4P/c1-2-16-11(14)10(17-18(12,13)15)8-9-6-4-3-5-7-9/h3-7,10H,2,8H2,1H3,(H4,12,13,15)
InChIKeyLPQYFZITGZSNJI-UHFFFAOYSA-N
XLogP1.20
TPSA104.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.24
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze ethyl 2-diaminophosphoryloxy-3-phenylpropanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 3-phenyl-2-(2-phenylacetyl)oxypropanoate
CID 134972816
(2S)-2-benzyl-3-ethoxy-3-oxopropanoic acid
CID 879209
ethyl 2-amino-3-phenylpropanoate;dihydrochloride
CID 141026874
2-benzyl-3-ethoxy-3-oxopropanoic acid;ethane
CID 91542343
methyl 2-[benzyl(methyl)phosphoryl]oxy-3-phenylpropanoate
CID 19936060
ethyl (2S)-2-amino-3-phenylpropanoate;hydron;chloride
CID 74764559
diethyl (2S,3R)-2-benzyl-3-hydroxybutanedioate
CID 12567693
diethyl (3S)-2-benzyl-3-hydroxybutanedioate
CID 57289528
ethyl (2S)-2-amino-3-phenylpropanoate;hypochlorous acid
CID 69027171
2-ethoxy-3-phenylpropanoic acid
CID 54403311
ethyl (2R,3R)-2-benzyl-3,4-dimethylpentanoate
CID 11459321
3-benzyl-4-ethoxy-2-hydroxy-4-oxobutanoic acid
CID 69330508

Frequently Asked Questions

What is the IUPAC name of ethyl 2-diaminophosphoryloxy-3-phenylpropanoate?
The IUPAC name of ethyl 2-diaminophosphoryloxy-3-phenylpropanoate (CID 175144269) is ethyl 2-diaminophosphoryloxy-3-phenylpropanoate.
What is the SMILES notation for ethyl 2-diaminophosphoryloxy-3-phenylpropanoate?
The canonical SMILES for ethyl 2-diaminophosphoryloxy-3-phenylpropanoate is CCOC(=O)C(Cc1ccccc1)OP(N)(N)=O.
What is the InChIKey of ethyl 2-diaminophosphoryloxy-3-phenylpropanoate?
The InChIKey is LPQYFZITGZSNJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N2O4P/c1-2-16-11(14)10(17-18(12,13)15)8-9-6-4-3-5-7-9/h3-7,10H,2,8H2,1H3,(H4,12,13,15).
What are the key properties of ethyl 2-diaminophosphoryloxy-3-phenylpropanoate?
ethyl 2-diaminophosphoryloxy-3-phenylpropanoate has a molecular weight of 272.24 g/mol, XLogP of 1.20, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-diaminophosphoryloxy-3-phenylpropanoate is sourced from PubChem (CID 175144269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).